SCHEMBL14449240

SCHEMBL14449240

CCCCCCCCCOc1ccc(-c2c3nc(c(-c4ccc(OCCC[N+](C)(C)C)cc4)c4ccc([nH]4)c(-c4ccc(OCCC[N+](C)(C)C)cc4)c4nc(c(-c5ccc(OCCCN(C)C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 3/20 0.41
▸ THRB P10828 2/20 0.41
▸ HTR1A P08908 1/20 0.39
▸ HTR1D P28221 1/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ LSS P48449 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALOX5 P09917 1/20 0.38
▸ TERT O14746 1/20 0.38
▸ ATP4A P20648 1/20 0.38
▸ ATP4B P51164 1/20 0.38
▸ TOP1 P11387 2/20 0.38
▸ CHEK2 O96017 1/20 0.38
▸ ACHE P22303 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.36
▸ ENPP2 Q13822 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14449216 1.00 THRA (0.41) THRATHRBHTR1AHTR1DHTR1B
SCHEMBL14449234 1.00 THRA (0.41) THRATHRBHTR1AHTR1DHTR1B
SCHEMBL14449245 1.00 THRA (0.41) THRATHRBHTR1AHTR1DHTR1B
SCHEMBL12427960 0.94 LSS (0.44) LSSKDM4EALDH1A1SMN1; SMN2ALOX5
SCHEMBL14449207 0.93 THRA (0.46) THRATHRBHTR1AHTR1DHTR1B
SCHEMBL12057441 0.93 TERT (0.43) KDM4EALDH1A1SMN1; SMN2TERTTOP1
SCHEMBL12057400 0.93 TERT (0.43) KDM4EALDH1A1SMN1; SMN2TERTTOP1
SCHEMBL12057450 0.93 TERT (0.43) KDM4EALDH1A1SMN1; SMN2TERTTOP1
SCHEMBL12428034 0.93 TERT (0.43) KDM4EALDH1A1SMN1; SMN2TERTTOP1
SCHEMBL12057440 0.93 TERT (0.43) KDM4EALDH1A1SMN1; SMN2TERTTOP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167619-A1 Novel uses of porphyrin compounds DESTINY PHARMA LTD. (GB) 2007-07-19 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070167619-A1 Novel uses of porphyrin compounds PPOX, ZFX, ZYX THRA 3801/4885THRB 3949/4885HTR1A 3348/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback